EXAFS Study of the Local Order in Cu2ZnSn(SxSe1–x)4 Alloys. Issue 11 (14th June 2019)

• Record Type: Journal Article
• Authors: Pietnoczka, Anna; Bacewicz, Rajmund; Antonowicz, Jerzy; Schorr, Susan; Gurieva, Galina
• Is Part Of: Physica status solidi. Volume 256:Issue 11(2019)
• Page Start: n/a
• Page End: n/a
• Publication Date: 2019-06-14
• Subjects: CZTS‐related compounds -- EXAFS -- kesterites -- local structure; Solid state physics -- Periodicals; Solids -- Periodicals; Atomic structure -- Periodicals; 530.41
• DOI: 10.1002/pssb.201900150
• Languages: English
• ISSNs: 0370-1972

Abstract

Abstract : Local structure in Cu2 ZnSn(S x Se1– x )4 alloys is studied by the extended X‐ray absorption fine structure (EXAFS) method. K edge absorption spectra of four elements: Cu, Zn, Sn, and Se have been measured. The EXAFS analysis of the nearest neighbor shell is performed using simultaneous fitting of the data for all four K edges. This provides value of structural parameters in the most consistent way. The cation–anion interatomic distances exhibit the bimodal behavior, i.e., the Me–S and Me–Se distances (Me = Cu, Zn, and Sn) are practically constant over the whole composition range of Cu2 ZnSn(S x Se1– x )4 alloys. They are compared to the X‐ray diffraction (XRD) values for these alloys. The analysis of the EXAFS Debye‐Waller factors indicates differences in the static disorder around different cations with the lowest disorder observed in the first coordination shell of Sn atoms. Abstract : Extended X‐ray absorption fine structure (EXAFS) analysis of the nearest neighbor environment in kesterite Cu2 ZnSn(S x Se1 –x )4 alloys is presented. Bimodal behavior of the cation–anion distances is observed for the metal–sulfur and metal–selenium bonds. Differences in the static disorder around the metal atoms are noted.